Cas no 2259315-70-1 (4-bromopyrimidine-2-carbonitrile-5,6-d2)

4-bromopyrimidine-2-carbonitrile-5,6-d2 structure
2259315-70-1 structure
Product Name:4-bromopyrimidine-2-carbonitrile-5,6-d2
CAS No:2259315-70-1
MF:C5H2BrN3
MW:186.005802631378
CID:6820310
PubChem ID:172402447
Update Time:2025-03-01

4-bromopyrimidine-2-carbonitrile-5,6-d2 Chemical and Physical Properties

Names and Identifiers

    • 2259315-70-1
    • CS-22070
    • 4-bromopyrimidine-2-carbonitrile-5,6-d2
    • Inchi: 1S/C5H2BrN3/c6-4-1-2-8-5(3-7)9-4/h1-2H/i1D,2D
    • InChI Key: IPBOWNBJKYDXQB-QDNHWIQGSA-N
    • SMILES: BrC1C([2H])=C([2H])N=C(C#N)N=1

Computed Properties

  • Exact Mass: 184.95576Da
  • Monoisotopic Mass: 184.95576Da
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 138
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 49.6?2
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